(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid

C19H20O5 — CID 118274610

IUPAC(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(/C(=O)O)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C19H20O5/c1-23-16-7-3-14(4-8-16)13-18(19(21)22)15-5-9-17(10-6-15)24-12-2-11-20/h3-10,13,20H,2,11-12H2,1H3,(H,21,22)/b18-13+
InChIKeyJWWHYFJZJHURSM-QGOAFFKASA-N
MW328.36 g/mol
LogP3.08
Rot. Bonds8

About (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid

(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 118274610) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID118274610
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(/C(=O)O)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C19H20O5/c1-23-16-7-3-14(4-8-16)13-18(19(21)22)15-5-9-17(10-6-15)24-12-2-11-20/h3-10,13,20H,2,11-12H2,1H3,(H,21,22)/b18-13+
InChIKeyJWWHYFJZJHURSM-QGOAFFKASA-N
XLogP3.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(E)-3-(4-ethoxyphenyl)-2-[4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoic acid
CID 118274623
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
CID 10870679
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 3498269
(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20984254
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83953773

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid (CID 118274610) is (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(/C(=O)O)c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is JWWHYFJZJHURSM-QGOAFFKASA-N. The full InChI is InChI=1S/C19H20O5/c1-23-16-7-3-14(4-8-16)13-18(19(21)22)15-5-9-17(10-6-15)24-12-2-11-20/h3-10,13,20H,2,11-12H2,1H3,(H,21,22)/b18-13+.
What are the key properties of (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid?
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 118274610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).